Sugi Predict

Sugi Predict / Compounds / SCHEMBL12033410

SCHEMBL12033410

SCHEMBL12033410

O=C(CBr)c1ccc(N2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.66
▸ HTR2C P28335 1/20 0.66
▸ HTR2B P41595 1/20 0.66
▸ DRD4 P21917 3/20 0.62
▸ ALDH1A1 P00352 2/20 0.59
▸ MAPT P10636 2/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ GSK3B P49841 1/20 0.58
▸ HDAC3 O15379 1/20 0.58
▸ HDAC4 P56524 1/20 0.58
▸ HDAC1 Q13547 1/20 0.58
▸ HDAC7 Q8WUI4 1/20 0.58
▸ HDAC2 Q92769 1/20 0.58
▸ HDAC10 Q969S8 1/20 0.58
▸ HDAC11 Q96DB2 1/20 0.58
▸ HDAC8 Q9BY41 1/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bromide SCHEMBL14053867 0.99 HTR2A (0.64) HTR2AHTR2CHTR2BDRD4ALDH1A1
SCHEMBL12053542 0.86 HTR2A (0.66) HTR2AHTR2CHTR2BDRD4ALDH1A1
SCHEMBL27619102 0.86 HTR2A (0.70) HTR2AHTR2CHTR2BDRD4ALDH1A1
SCHEMBL1066467 0.85 HTR2A (0.72) HTR2AHTR2CHTR2BDRD4ALDH1A1
SCHEMBL7459360 0.84 HTR2A (0.71) HTR2AHTR2CHTR2BDRD4MAPT
Hydrochloric Acid SCHEMBL4653252 0.84 HTR2A (0.71) HTR2AHTR2CHTR2BDRD4MAPT
SCHEMBL1482123 0.83 HTR2A (0.69) HTR2AHTR2CHTR2BDRD4ALDH1A1
SCHEMBL2744427 0.83 HTR2A (0.69) HTR2AHTR2CHTR2BDRD4MAPT
Hydrochloric Acid SCHEMBL9742137 0.82 HTR2A (0.67) HTR2AHTR2CHTR2BDRD4MAPT
Hydrochloric Acid SCHEMBL6684157 0.82 HTR2A (0.60) HTR2AHTR2CHTR2BDRD4ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688696-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2017-06-27 — — US disclosed
US-9688696-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2017-06-27 — — US disclosed
US-20170029440-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-02-02 — — US disclosed
US-20170029440-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-02-02 — — US disclosed
US-9499567-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2016-11-22 — — US disclosed
US-9499567-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2016-11-22 — — US disclosed
US-20150322088-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-11-12 — — US disclosed
US-20150322088-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-11-12 — — US disclosed
EP-2152271-B1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-10-21 — — EP disclosed
US-9120821-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2015-09-01 — — US disclosed
US-8835437-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2014-09-16 — — US disclosed
US-20120302569-A1 PHENYL-THIAZOLYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 — — US disclosed
US-20120302569-A1 PHENYL-THIAZOLYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 — — US disclosed
WO-2012162461-A1 PHENYL-THIAZOLYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 — — WO disclosed
US-20110312996-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-12-22 — — US disclosed
US-20110312996-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-12-22 — — US disclosed
WO-2011146401-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-11-24 — — WO disclosed
US-20100216809-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-26 — — US disclosed
US-20100216809-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-26 — — US disclosed
WO-2008148840-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-11 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100216809-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, DGAT2, DLAT HTR2A 2437/4885HTR2C 1423/4885HTR2B 1899/4885
US-20170029440-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, PAOX, DGAT2 HTR2A 2573/4885HTR2C 1485/4885HTR2B 1944/4885
US-20150322088-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, PAOX, DGAT2 HTR2A 2573/4885HTR2C 1485/4885HTR2B 1944/4885
US-20110312996-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, PYGL HTR2A 4473/4885HTR2C 4199/4885HTR2B 4504/4885
US-20120302569-A1 PHENYL-THIAZOLYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP9, MMP1, MMP3 HTR2A 2552/4885HTR2C 3848/4885HTR2B 3459/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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